Details of the Drug

General Information of Drug (ID: DM6CHNJ)

• Drug Name: Camptothecin
• Synonyms: camptothecin; Camptothecine; 7689-03-4; (S)-(+)-Camptothecin; Campathecin; d-Camptothecin; (+)-Camptothecine; (+)-Camptothecin; 20(S)-Camptothecine; 21,22-Secocamptothecin-21-oic acid lactone; NSC94600; (S)-Camptothecin; Camptothecine (8CI); 20(S)-Camptothecin; Camptothecine (S,+); CHEMBL65; UNII-XT3Z54Z28A; MLS000766223; (4S)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; XT3Z54Z28A; CHEBI:27656; VSJKWCGYPAHWDS-FQEVSTJZSA-N; Camptothecin, Camptotheca acuminata; NSC-94600; Camptothecin derivat

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Phase 3	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 348.4
  Topological Polar Surface Area (xlogp); 1
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C20H16N2O4
  IUPAC Name: (19S)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
  Canonical SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O
  InChI: InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
  InChIKey: VSJKWCGYPAHWDS-FQEVSTJZSA-N
• Cross-matching ID:
  PubChem CID: 24360
  ChEBI ID: CHEBI:27656
  CAS Number: 7689-03-4
  DrugBank ID: DB04690
  TTD ID: D09YDM
  VARIDT ID: DR01383

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
DNA topoisomerase I (TOP1)	TTGTQHC	TOP1_HUMAN	Modulator	[1], [2]

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Multidrug resistance-associated protein 2 (ABCC2)	DTFI42L	MRP2_HUMAN	Substrate	[3]
Multidrug resistance-associated protein 4 (ABCC4)	DTCSGPB	MRP4_HUMAN	Substrate	[4]
Breast cancer resistance protein (ABCG2)	DTI7UX6	ABCG2_HUMAN	Substrate	[5]

Molecular Expression Atlas of This Drug

• The Studied Disease: Solid tumour/cancer
• ICD Disease Classification: 2A00-2F9Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
DNA topoisomerase I (TOP1)	DTT	TOP1	6.65E-01	0.2	0.39
Breast cancer resistance protein (ABCG2)	DTP	BCRP	3.87E-47	-1.28E+00	-1.63E+00
Multidrug resistance-associated protein 2 (ABCC2)	DTP	MRP2	1.02E-08	-5.12E-02	-2.22E-01
Multidrug resistance-associated protein 4 (ABCC4)	DTP	MRP4	1.26E-03	-4.35E-01	-5.28E-01

References

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