Drug Information

Drug ID:  NPD5360
Drug Name:  Ganaxolone
Molecular Formula:  C22H36O2
Canonical SMILES:  CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@](C2)(C)O
Standard InCHI:  InChI=1S/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3/t15-,16-,17+,18-,19-,20+,21-,22+/m0/s1
Standard InCHIKey:  PGTVWKLGGCQMBR-FLBATMFCSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD5360

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
High Similarity 0.9385 NPC473225
High Similarity 0.9254 NPC156277
High Similarity 0.9254 NPC151018
High Similarity 0.9254 NPC320549
High Similarity 0.9254 NPC58057
High Similarity 0.9118 NPC232112
High Similarity 0.8986 NPC254340
High Similarity 0.8955 NPC6120
High Similarity 0.8955 NPC196197
High Similarity 0.8955 NPC327728
High Similarity 0.8955 NPC213178
High Similarity 0.8955 NPC131892
High Similarity 0.8873 NPC23884
High Similarity 0.8873 NPC475031
High Similarity 0.8857 NPC195155
High Similarity 0.8857 NPC273366
High Similarity 0.8857 NPC174964
High Similarity 0.8857 NPC97534
High Similarity 0.8824 NPC108131
High Similarity 0.8788 NPC42060
High Similarity 0.8732 NPC472487
High Similarity 0.8732 NPC5767
High Similarity 0.8732 NPC475742
High Similarity 0.8732 NPC472486
High Similarity 0.8714 NPC167702
High Similarity 0.8714 NPC472854
High Similarity 0.8714 NPC280026
High Similarity 0.8696 NPC89310
High Similarity 0.8676 NPC474962
High Similarity 0.8611 NPC221420
High Similarity 0.8592 NPC21220
High Similarity 0.8592 NPC125767
High Similarity 0.8592 NPC212733
High Similarity 0.8571 NPC310766
High Similarity 0.8507 NPC268736
High Similarity 0.8507 NPC477931
Intermediate Similarity 0.8493 NPC185465
Intermediate Similarity 0.8472 NPC4209
Intermediate Similarity 0.8451 NPC133922
Intermediate Similarity 0.8429 NPC473267
Intermediate Similarity 0.8429 NPC247195
Intermediate Similarity 0.8406 NPC319671
Intermediate Similarity 0.8406 NPC469941
Intermediate Similarity 0.8406 NPC324607
Intermediate Similarity 0.8406 NPC252032
Intermediate Similarity 0.8406 NPC476734
Intermediate Similarity 0.8406 NPC321732
Intermediate Similarity 0.8382 NPC474221
Intermediate Similarity 0.8382 NPC130459
Intermediate Similarity 0.8382 NPC478180
Intermediate Similarity 0.8378 NPC320144
Intermediate Similarity 0.8358 NPC19311
Intermediate Similarity 0.8358 NPC230047
Intermediate Similarity 0.8356 NPC317913
Intermediate Similarity 0.8356 NPC143133
Intermediate Similarity 0.8356 NPC264602
Intermediate Similarity 0.8356 NPC298168
Intermediate Similarity 0.8356 NPC207010
Intermediate Similarity 0.8333 NPC72444
Intermediate Similarity 0.8333 NPC24014
Intermediate Similarity 0.8333 NPC159789
Intermediate Similarity 0.8333 NPC27349
Intermediate Similarity 0.831 NPC81759
Intermediate Similarity 0.8289 NPC328007
Intermediate Similarity 0.8289 NPC317066
Intermediate Similarity 0.8286 NPC476731
Intermediate Similarity 0.8286 NPC477929
Intermediate Similarity 0.8267 NPC470609
Intermediate Similarity 0.8261 NPC475977
Intermediate Similarity 0.8254 NPC151464
Intermediate Similarity 0.8254 NPC143597
Intermediate Similarity 0.8243 NPC80089
Intermediate Similarity 0.8243 NPC34046
Intermediate Similarity 0.8243 NPC329117
Intermediate Similarity 0.8243 NPC224802
Intermediate Similarity 0.8243 NPC171426
Intermediate Similarity 0.8243 NPC324700
Intermediate Similarity 0.8209 NPC128608
Intermediate Similarity 0.8194 NPC162164
Intermediate Similarity 0.8182 NPC327451
Intermediate Similarity 0.8169 NPC472309
Intermediate Similarity 0.8169 NPC197701
Intermediate Similarity 0.8169 NPC469940
Intermediate Similarity 0.8169 NPC126642
Intermediate Similarity 0.8158 NPC12933
Intermediate Similarity 0.8158 NPC58631
Intermediate Similarity 0.8158 NPC469745
Intermediate Similarity 0.8143 NPC64466
Intermediate Similarity 0.8133 NPC201276
Intermediate Similarity 0.8133 NPC245029
Intermediate Similarity 0.8133 NPC80891
Intermediate Similarity 0.8133 NPC215843
Intermediate Similarity 0.8133 NPC31302
Intermediate Similarity 0.8116 NPC41542
Intermediate Similarity 0.8108 NPC66105
Intermediate Similarity 0.8108 NPC180199
Intermediate Similarity 0.8108 NPC477919
Intermediate Similarity 0.8108 NPC477918
Intermediate Similarity 0.8095 NPC184819
Intermediate Similarity 0.8082 NPC472311
Intermediate Similarity 0.8077 NPC50438
Intermediate Similarity 0.8077 NPC474996
Intermediate Similarity 0.806 NPC114891
Intermediate Similarity 0.8056 NPC68426
Intermediate Similarity 0.8056 NPC474123
Intermediate Similarity 0.8056 NPC477229
Intermediate Similarity 0.8056 NPC282905
Intermediate Similarity 0.8052 NPC289486
Intermediate Similarity 0.8052 NPC30583
Intermediate Similarity 0.8052 NPC61107
Intermediate Similarity 0.8052 NPC268040
Intermediate Similarity 0.8028 NPC477850
Intermediate Similarity 0.8026 NPC472853
Intermediate Similarity 0.8026 NPC261616
Intermediate Similarity 0.8 NPC199965
Intermediate Similarity 0.8 NPC2568
Intermediate Similarity 0.8 NPC180777
Intermediate Similarity 0.8 NPC281203
Intermediate Similarity 0.8 NPC476732
Intermediate Similarity 0.8 NPC260319
Intermediate Similarity 0.8 NPC103647
Intermediate Similarity 0.8 NPC469724
Intermediate Similarity 0.8 NPC100917
Intermediate Similarity 0.8 NPC474954
Intermediate Similarity 0.8 NPC162685
Intermediate Similarity 0.8 NPC31187
Intermediate Similarity 0.7949 NPC475726
Intermediate Similarity 0.7949 NPC472743
Intermediate Similarity 0.7945 NPC130011
Intermediate Similarity 0.7945 NPC38426
Intermediate Similarity 0.7945 NPC159325
Intermediate Similarity 0.7945 NPC477930
Intermediate Similarity 0.7945 NPC168511
Intermediate Similarity 0.7937 NPC53245
Intermediate Similarity 0.7937 NPC288296
Intermediate Similarity 0.7922 NPC77311
Intermediate Similarity 0.791 NPC71460
Intermediate Similarity 0.791 NPC148174
Intermediate Similarity 0.791 NPC218585
Intermediate Similarity 0.7895 NPC192744
Intermediate Similarity 0.7895 NPC52951
Intermediate Similarity 0.7895 NPC201459
Intermediate Similarity 0.7879 NPC95958
Intermediate Similarity 0.7875 NPC476727
Intermediate Similarity 0.7875 NPC476726
Intermediate Similarity 0.7875 NPC80700
Intermediate Similarity 0.7867 NPC474404
Intermediate Similarity 0.7867 NPC112463
Intermediate Similarity 0.7857 NPC48079
Intermediate Similarity 0.7857 NPC472984
Intermediate Similarity 0.7848 NPC474482
Intermediate Similarity 0.7848 NPC474233
Intermediate Similarity 0.7848 NPC475745
Intermediate Similarity 0.7848 NPC473336
Intermediate Similarity 0.7848 NPC471044
Intermediate Similarity 0.7848 NPC319909
Intermediate Similarity 0.7838 NPC477934
Intermediate Similarity 0.7838 NPC267753
Intermediate Similarity 0.7821 NPC145143
Intermediate Similarity 0.7821 NPC121121
Intermediate Similarity 0.7792 NPC164999
Intermediate Similarity 0.7792 NPC477851
Intermediate Similarity 0.7778 NPC263802
Intermediate Similarity 0.7778 NPC202937
Intermediate Similarity 0.7763 NPC478128
Intermediate Similarity 0.775 NPC292553
Intermediate Similarity 0.775 NPC76518
Intermediate Similarity 0.7746 NPC472741
Intermediate Similarity 0.7746 NPC470956
Intermediate Similarity 0.7733 NPC246445
Intermediate Similarity 0.7733 NPC108840
Intermediate Similarity 0.7733 NPC477932
Intermediate Similarity 0.7733 NPC104806
Intermediate Similarity 0.7733 NPC477933
Intermediate Similarity 0.7727 NPC476735
Intermediate Similarity 0.7722 NPC217559
Intermediate Similarity 0.7722 NPC472744
Intermediate Similarity 0.7722 NPC268578
Intermediate Similarity 0.7722 NPC292458
Intermediate Similarity 0.7714 NPC142712
Intermediate Similarity 0.7692 NPC50658
Intermediate Similarity 0.7692 NPC164210
Intermediate Similarity 0.7692 NPC103754
Intermediate Similarity 0.7692 NPC474105
Intermediate Similarity 0.7692 NPC474484
Intermediate Similarity 0.7683 NPC193360
Intermediate Similarity 0.7681 NPC69149
Intermediate Similarity 0.7681 NPC118937
Intermediate Similarity 0.7681 NPC167995
Intermediate Similarity 0.7681 NPC159654
Intermediate Similarity 0.7681 NPC281540
Intermediate Similarity 0.7671 NPC290058
Intermediate Similarity 0.7654 NPC472272
Intermediate Similarity 0.7654 NPC472738
Intermediate Similarity 0.7639 NPC299948
Intermediate Similarity 0.7639 NPC254037
Intermediate Similarity 0.7639 NPC470830
Intermediate Similarity 0.7639 NPC129829
Intermediate Similarity 0.7639 NPC66407
Intermediate Similarity 0.7639 NPC241085

Drug Structure

External Identifiers

TTD  
DrugBank   DB05087
ChEMBL   CHEMBL1568698
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  38398-32-2

Drug Properties

Molecular Weight  332.27
ALogP  0.8801
MLogP  3.66
XLogP  6.515
HDA  2
HBD  1
Rotatable Bonds  6
TPSA  37.3
RO5 Violation  1