Drug Information

Drug ID:  NPD2383
Drug Name:  Lgd-2941
Molecular Formula:  C17H16F6N2O2
Canonical SMILES:  Oc1nc2ccc(cc2c(c1)C(F)(F)F)N1[C@H](C)CC[C@@H]1[C@H](C(F)(F)F)O
Standard InCHI:  InChI=1S/C17H16F6N2O2/c1-8-2-5-13(15(27)17(21,22)23)25(8)9-3-4-12-10(6-9)11(16(18,19)20)7-14(26)24-12/h3-4,6-8,13,15,27H,2,5H2,1H3,(H,24,26)/t8-,13-,15-/m1/s1
Standard InCHIKey:  HWLLYFXDDGGHOE-BCSUUIJWSA-N
Max Developmental Stage:  Phase 1
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2383

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
Intermediate Similarity 0.8286 NPC158129
Intermediate Similarity 0.8136 NPC471294
Intermediate Similarity 0.8053 NPC249040
Intermediate Similarity 0.8012 NPC60553
Intermediate Similarity 0.7953 NPC153769
Intermediate Similarity 0.7944 NPC134586
Intermediate Similarity 0.7931 NPC84508
Intermediate Similarity 0.7929 NPC161292
Intermediate Similarity 0.7908 NPC469589
Intermediate Similarity 0.7901 NPC211997
Intermediate Similarity 0.7802 NPC326575
Intermediate Similarity 0.7765 NPC44161
Intermediate Similarity 0.776 NPC133261
Intermediate Similarity 0.776 NPC72980
Intermediate Similarity 0.7755 NPC472111
Intermediate Similarity 0.7755 NPC474145
Intermediate Similarity 0.7755 NPC475841
Intermediate Similarity 0.775 NPC471080
Intermediate Similarity 0.775 NPC469592
Intermediate Similarity 0.7747 NPC150048
Intermediate Similarity 0.7747 NPC203754
Intermediate Similarity 0.773 NPC19679
Intermediate Similarity 0.7717 NPC478032
Intermediate Similarity 0.7716 NPC53344
Intermediate Similarity 0.7705 NPC283152
Intermediate Similarity 0.7688 NPC5145
Intermediate Similarity 0.7667 NPC317430
Intermediate Similarity 0.7663 NPC472443
Intermediate Similarity 0.765 NPC24594
Intermediate Similarity 0.765 NPC472122
Intermediate Similarity 0.7637 NPC34508
Intermediate Similarity 0.7637 NPC259545
Intermediate Similarity 0.7624 NPC126481
Intermediate Similarity 0.7614 NPC141353
Intermediate Similarity 0.7606 NPC171171
Intermediate Similarity 0.7598 NPC469594
Intermediate Similarity 0.7596 NPC329688
Intermediate Similarity 0.7596 NPC189812
Intermediate Similarity 0.7588 NPC475910
Intermediate Similarity 0.7581 NPC314394
Intermediate Similarity 0.7568 NPC232340
Intermediate Similarity 0.7563 NPC476098
Intermediate Similarity 0.7553 NPC314002
Intermediate Similarity 0.7542 NPC47298
Intermediate Similarity 0.7542 NPC315214
Intermediate Similarity 0.7541 NPC474409
Intermediate Similarity 0.754 NPC472444
Intermediate Similarity 0.754 NPC133306
Intermediate Similarity 0.7527 NPC472105
Intermediate Similarity 0.7527 NPC187827
Intermediate Similarity 0.7526 NPC246700
Intermediate Similarity 0.7526 NPC128751
Intermediate Similarity 0.7525 NPC165349
Intermediate Similarity 0.7525 NPC470500
Intermediate Similarity 0.7525 NPC118832
Intermediate Similarity 0.7525 NPC329708
Intermediate Similarity 0.7525 NPC47059
Intermediate Similarity 0.7525 NPC475070
Intermediate Similarity 0.7525 NPC274291
Intermediate Similarity 0.7525 NPC264166
Intermediate Similarity 0.7513 NPC314573
Intermediate Similarity 0.75 NPC62069
Intermediate Similarity 0.75 NPC204717
Intermediate Similarity 0.75 NPC159319
Intermediate Similarity 0.75 NPC471598
Intermediate Similarity 0.75 NPC32028
Intermediate Similarity 0.75 NPC99666
Intermediate Similarity 0.7487 NPC106833
Intermediate Similarity 0.7487 NPC95783
Intermediate Similarity 0.7487 NPC469497
Intermediate Similarity 0.7474 NPC46580
Intermediate Similarity 0.7473 NPC270009
Intermediate Similarity 0.7473 NPC88363
Intermediate Similarity 0.746 NPC94943
Intermediate Similarity 0.746 NPC62510
Intermediate Similarity 0.7459 NPC471178
Intermediate Similarity 0.7449 NPC476167
Intermediate Similarity 0.7447 NPC472110
Intermediate Similarity 0.7447 NPC220765
Intermediate Similarity 0.7447 NPC139291
Intermediate Similarity 0.7447 NPC472109
Intermediate Similarity 0.7447 NPC472108
Intermediate Similarity 0.7446 NPC472123
Intermediate Similarity 0.7442 NPC470394
Intermediate Similarity 0.7442 NPC470404
Intermediate Similarity 0.7442 NPC470403
Intermediate Similarity 0.7433 NPC15840
Intermediate Similarity 0.7432 NPC314940
Intermediate Similarity 0.7432 NPC473764
Intermediate Similarity 0.7419 NPC293472
Intermediate Similarity 0.7416 NPC285469
Intermediate Similarity 0.7407 NPC190007
Intermediate Similarity 0.7405 NPC472586
Intermediate Similarity 0.7401 NPC26872
Intermediate Similarity 0.7398 NPC306376
Intermediate Similarity 0.7398 NPC192315
Intermediate Similarity 0.7394 NPC192270
Intermediate Similarity 0.7389 NPC81229
Intermediate Similarity 0.7389 NPC255229
Intermediate Similarity 0.7387 NPC475774
Intermediate Similarity 0.7385 NPC472193
Intermediate Similarity 0.7376 NPC476116
Intermediate Similarity 0.7374 NPC129721
Intermediate Similarity 0.7368 NPC42591
Intermediate Similarity 0.7366 NPC121903
Intermediate Similarity 0.7366 NPC288943
Intermediate Similarity 0.736 NPC470507
Intermediate Similarity 0.7356 NPC470395
Intermediate Similarity 0.7354 NPC212535
Intermediate Similarity 0.7351 NPC313791
Intermediate Similarity 0.7348 NPC471177
Intermediate Similarity 0.7348 NPC177404
Intermediate Similarity 0.7348 NPC124542
Intermediate Similarity 0.7348 NPC59779
Intermediate Similarity 0.7347 NPC153042
Intermediate Similarity 0.7344 NPC183805
Intermediate Similarity 0.7337 NPC211813
Intermediate Similarity 0.733 NPC194040
Intermediate Similarity 0.733 NPC330009
Intermediate Similarity 0.733 NPC469928
Intermediate Similarity 0.7323 NPC329793
Intermediate Similarity 0.7323 NPC329747
Intermediate Similarity 0.732 NPC324149
Intermediate Similarity 0.7317 NPC478074
Intermediate Similarity 0.7316 NPC320394
Intermediate Similarity 0.7312 NPC303225
Intermediate Similarity 0.7311 NPC470126
Intermediate Similarity 0.7308 NPC476118
Intermediate Similarity 0.7302 NPC113626
Intermediate Similarity 0.73 NPC223427
Intermediate Similarity 0.73 NPC53144
Intermediate Similarity 0.73 NPC200836
Intermediate Similarity 0.7296 NPC251090
Intermediate Similarity 0.7282 NPC279401
Intermediate Similarity 0.7282 NPC79293
Intermediate Similarity 0.7278 NPC26850
Intermediate Similarity 0.7277 NPC241025
Intermediate Similarity 0.7277 NPC253580
Intermediate Similarity 0.7273 NPC128823
Intermediate Similarity 0.7268 NPC470508
Intermediate Similarity 0.7267 NPC280853
Intermediate Similarity 0.7264 NPC214142
Intermediate Similarity 0.7263 NPC48938
Intermediate Similarity 0.7263 NPC176127
Intermediate Similarity 0.7263 NPC207726
Intermediate Similarity 0.7259 NPC70956
Intermediate Similarity 0.7259 NPC243834
Intermediate Similarity 0.7259 NPC77555
Intermediate Similarity 0.7253 NPC16667
Intermediate Similarity 0.7246 NPC74969
Intermediate Similarity 0.7245 NPC276517
Intermediate Similarity 0.7243 NPC280548
Intermediate Similarity 0.7234 NPC184964
Intermediate Similarity 0.7234 NPC96890
Intermediate Similarity 0.7232 NPC37548
Intermediate Similarity 0.723 NPC261251
Intermediate Similarity 0.7225 NPC245657
Intermediate Similarity 0.7225 NPC84478
Intermediate Similarity 0.7225 NPC285016
Intermediate Similarity 0.7222 NPC472284
Intermediate Similarity 0.7222 NPC102008
Intermediate Similarity 0.7213 NPC473057
Intermediate Similarity 0.7213 NPC311276
Intermediate Similarity 0.7213 NPC102423
Intermediate Similarity 0.7209 NPC471596
Intermediate Similarity 0.7208 NPC242209
Intermediate Similarity 0.7204 NPC252590
Intermediate Similarity 0.7202 NPC472323
Intermediate Similarity 0.7202 NPC66083
Intermediate Similarity 0.7196 NPC100547
Intermediate Similarity 0.7194 NPC307963
Intermediate Similarity 0.7194 NPC106937
Intermediate Similarity 0.719 NPC132642
Intermediate Similarity 0.7186 NPC32200
Intermediate Similarity 0.7183 NPC24370
Intermediate Similarity 0.7183 NPC319232
Intermediate Similarity 0.7172 NPC474188
Intermediate Similarity 0.7172 NPC156704
Intermediate Similarity 0.7164 NPC470678
Intermediate Similarity 0.7163 NPC322135
Intermediate Similarity 0.7163 NPC477110
Intermediate Similarity 0.7163 NPC223409
Intermediate Similarity 0.7163 NPC95240
Intermediate Similarity 0.7163 NPC183407
Intermediate Similarity 0.715 NPC34580
Intermediate Similarity 0.715 NPC124920
Intermediate Similarity 0.715 NPC45459
Intermediate Similarity 0.715 NPC478077
Intermediate Similarity 0.715 NPC118559
Intermediate Similarity 0.715 NPC315491
Intermediate Similarity 0.715 NPC304307
Intermediate Similarity 0.7143 NPC476121
Intermediate Similarity 0.7143 NPC230869
Intermediate Similarity 0.7143 NPC67056
Intermediate Similarity 0.7143 NPC476124
Intermediate Similarity 0.7135 NPC49954
Intermediate Similarity 0.7135 NPC474561
Intermediate Similarity 0.7135 NPC54988
Intermediate Similarity 0.7135 NPC187951
Intermediate Similarity 0.713 NPC14288

Drug Structure

External Identifiers

TTD   DIB001313
DrugBank   DB05234
ChEMBL   CHEMBL467888
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   16750192
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  394.11
ALogP  0.6129
MLogP  2.23
XLogP  4.823
HDA  3
HBD  2
Rotatable Bonds  13
TPSA  56.59
RO5 Violation  0